2-ethoxy-4-fluoroaniline

C8H10FNO — CID 3734463

IUPAC2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1N
InChIInChI=1S/C8H10FNO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2,10H2,1H3
InChIKeyCNNNOMZFRQSTMF-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.81
Rot. Bonds2

About 2-ethoxy-4-fluoroaniline

2-ethoxy-4-fluoroaniline (PubChem CID 3734463) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-ethoxy-4-fluoroaniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoroaniline
PubChem CID3734463
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1N
InChIInChI=1S/C8H10FNO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2,10H2,1H3
InChIKeyCNNNOMZFRQSTMF-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoroaniline?
The IUPAC name of 2-ethoxy-4-fluoroaniline (CID 3734463) is 2-ethoxy-4-fluoroaniline.
What is the SMILES notation for 2-ethoxy-4-fluoroaniline?
The canonical SMILES for 2-ethoxy-4-fluoroaniline is CCOc1cc(F)ccc1N.
What is the InChIKey of 2-ethoxy-4-fluoroaniline?
The InChIKey is CNNNOMZFRQSTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2,10H2,1H3.
What are the key properties of 2-ethoxy-4-fluoroaniline?
2-ethoxy-4-fluoroaniline has a molecular weight of 155.17 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoroaniline is sourced from PubChem (CID 3734463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).